Version2.1 2021-01-19T18:07:23Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 05-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc2c(c1)NC(=O)C[C@@H](N2C(=O)C[NH+]3CCN(CC3)Cc4ccc(s4)Cl)C(F)(F)F C21300070 RHF 6-31G(d) (6D,7F) c1ccc2c(c1)NC(=O)C[C@@H](N2C(=O)C[NH+]3CCN(CC3)Cc4ccc(s4)Cl)C(F)(F)F C01[X(C21H23Cl1F3N4O2S1)] 159 C1 534 O=C1Nc2ccccc2N([C@H](C1)C(F)(F)F)C(=O)C[NH+]1CCN(CC1)Cc1ccc(s1)Cl O=C1Nc2ccccc2N([C@H](C1)C(F)(F)F)C(=O)C[NH+]1CCN(CC1)Cc1ccc(s1)Cl FC(F)(F)[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[NH+]3CCN(CC3)Cc4sc(Cl)cc4 InChIKey=CRKUNCZDSXUZFJ-QGZVFWFLSA-O InChI=1S/C21H22ClF3N4O2S/c22-18-6-5-14(32-18)12-27-7-9-28(10-8-27)13-20(31)29-16-4-2-1-3-15(16)26-19(30)11-17(29)21(23,24)25/h1-6,17H,7-13H2,(H,26,30)/p+1/t17-/m1/s1 InChI=1/C21H22ClF3N4O2S/c22-18-6-5-14(32-18)12-27-7-9-28(10-8-27)13-20(31)29-16-4-2-1-3-15(16)26-19(30)11-17(29)21(23,24)25/h1-6,17H,7-13H2,(H,26,30)/p+1/t17-/m1/s1/fC21H23ClF3N4O2S/h26,28H/q+1 c1ccc2c(c1)NC(=O)C[C@@H](N2C(=O)C[NH+]3CCN(CC3)Cc4ccc(s4)Cl)C(F)(F)F C01[X(C21H23Cl1F3N4O2S1)] 159 C01 534 O=C1Nc2ccccc2N([C@H](C1)C(F)(F)F)C(=O)C[NH+]1CCN(CC1)Cc1ccc(s1)Cl O=C1C[C@@H]([N]([C](=O)C[NH]2CCN(CC2)CC2=[CH][CH]=C(S2)Cl)[C]2[C]([CH][CH][CH][CH]2)N1)C(F)(F)F FC(F)(F)[C@H]1CC(=O)N[C]2[CH][CH][CH][CH][C]2N1C(=O)C[NH]3CCN(CC3)Cc4sc(Cl)cc4 InChIKey=VNQVEWCQEWUWKY-QGZVFWFLSA-N InChI=1S/C21H23ClF3N4O2S/c22-18-6-5-14(32-18)12-27-7-9-28(10-8-27)13-20(31)29-16-4-2-1-3-15(16)26-19(30)11-17(29)21(23,24)25/h1-6,17,28H,7-13H2,(H,26,30)/t17-/m1/s1 InChI=1/C21H23ClF3N4O2S/c22-18-6-5-14(32-18)12-27-7-9-28(10-8-27)13-20(31)29-16-4-2-1-3-15(16)26-19(30)11-17(29)21(23,24)25/h1-6,17,28H,7-13H2,(H,26,30)/t17-/m1/s1/f/h26H 3610.9934979390 -2331.2767512 1-A 25619.0113 126 408 534 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0.2338 0.6605 0.7036 0.8086 0.6000 0.5413 0.4520 0.2978 0.1884 0.1746 0.4093 0.3947 0.8386 0.1328 0.1792 0.4040 0.8535 0.8515 0.3717 0.7018 0.7228 0.8474 0.7064 0.7807 0.6445 0.2341 0.3581 0.2161 0.3419 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 6 6 6 6 6 6 7 6 8 6 6 1 7 6 8 6 7 1 6 6 7 6 6 6 6 6 6 6 16 17 6 9 9 9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 1.00783 14.00307 12.00000 15.99491 12.00000 14.00307 1.00783 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 34.96885 12.00000 18.99840 18.99840 18.99840 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 6974.5348 44962.4550 46819.4659 0.99994 0.01058 0.00328 -0.01048 0.99947 -0.03082 -0.00361 0.03078 0.99952 1 0.01242 0.00193 0.00185 0.25876 0.04014 0.03855 16.56 23.48 29.48 37.76 69.00 73.26 87.76 93.06 99.70 128.47 139.41 152.50 168.85 198.97 229.58 269.24 273.69 345.26 349.35 359.85 373.01 421.64 430.66 451.67 479.50 512.75 517.93 540.21 550.07 590.14 605.73 620.57 670.91 693.43 722.85 733.99 760.82 763.91 777.43 812.34 820.33 834.37 869.04 872.47 884.92 891.32 924.83 959.12 1000.03 1007.73 1026.95 1046.15 1103.77 1123.76 1145.45 1161.27 1184.47 1218.16 1247.89 1259.29 1308.49 1311.27 1340.54 1354.97 1403.95 1429.08 1442.66 1458.80 1474.79 1496.95 1506.21 1520.50 1550.64 1563.52 1571.45 1596.20 1603.48 1633.04 1638.44 1651.04 1660.94 1662.12 1692.57 1710.83 1737.42 1749.59 1764.76 1774.20 1828.34 1851.74 1869.61 1878.42 1892.84 1903.44 1907.85 1948.88 1973.86 1981.35 2001.53 2015.04 2019.24 2045.82 2056.05 2070.64 2078.60 2093.69 2099.96 2121.40 2125.43 2142.44 2169.24 2181.24 2219.41 2228.64 2235.77 2256.63 2279.73 2286.60 2301.38 2310.64 2330.95 2343.56 2353.29 2355.70 2365.59 2370.30 2371.05 2377.18 2377.74 2393.75 2413.17 2553.49 2568.57 2598.58 2764.16 2898.24 4501.08 4518.02 4555.18 4690.52 4694.54 4709.55 4719.72 4730.60 4735.12 4767.20 4792.67 4802.86 4808.49 4825.83 4838.51 4857.45 4863.67 4882.52 4888.62 4901.50 4927.12 5213.33 5516.20 0.468555 0.495290 0.496234 0.406341 -2330.808197 -2330.781462 -2330.780517 -2330.870411 3.015060D-04 MUNgauss RevisionA2.0 retrievium 19-Jan-2021 DUDE c1ccc2c(c1)NC(=O)C[C@@H](N2C(=O)C[NH+]3CCN(CC3)Cc4ccc(s4)Cl)C(F)(F)F C21300070 RHF 6-31G(d) (6D,10F) C1 487.118235 |X|Y|Z| 147.031912 49.737873 39.073632 65.865936 25 6 7 16 20 4 1 |36.858105| |13.728287|36.858105| |7.962390|13.779161|36.858105| |6.898981|7.937767|13.735582|36.858105| |7.927762|6.833587|7.896228|13.678788|36.858105| |13.772078|7.915081|6.872808|7.944354|13.713204|36.858105| |5.156999|4.546788|5.165600|7.886497|13.583886|7.827804|53.358707| |3.989713|3.738394|4.352981|6.236642|7.710292|5.297837|18.797128|36.858105| |3.272600|3.051147|3.433194|4.529984|5.384758|4.183201|11.598418|16.013272|73.516695| |3.879935|3.893726|4.776718|6.635642|6.625359|4.719402|10.518603|12.536341|14.206359|36.858105| |3.732924|4.043431|5.442926|7.597791|5.999848|4.256906|8.342961|7.515768|9.947935|12.428687|36.858105| |3.163015|3.371146|4.332862|5.692468|4.835313|3.591006|7.212157|6.680010|9.930542|8.857777|17.670442|0.500000| |4.539429|5.122424|7.758679|13.265403|7.827738|5.143211|9.342138|6.595867|8.677435|7.677394|13.000734|0.256860|53.358707| |3.797308|4.243299|5.869022|7.831123|5.708651|4.180218|7.366848|5.133476|7.503872|5.320035|7.915663|0.218009|19.257797|36.858105| |3.070703|3.364653|4.354506|5.357201|4.337072|3.354995|6.009063|4.527306|7.071781|4.742652|6.978323|0.234020|11.483630|15.841557|73.516695| |3.996762|4.456795|5.757677|6.745614|5.331127|4.248771|6.504871|4.125734|6.254063|3.982963|5.000102|0.134534|10.510832|12.437040|14.449062|36.858105| |3.074212|3.367465|4.056435|4.447800|3.794263|3.211481|4.927581|3.304161|5.292793|3.202774|3.939963|0.113069|7.034434|7.824894|13.207194|12.805576|53.358707| |2.829047|3.048179|3.680108|4.188114|3.638689|3.022768|4.952278|3.447813|5.624013|3.332933|4.152063|0.125469|7.044902|8.131139|16.702022|9.506694|25.584143|0.500000| |2.776790|3.148262|3.770898|3.833530|3.191314|2.786256|4.050175|2.790902|4.485664|2.833377|3.521045|0.100123|5.981624|6.011621|10.743549|7.663867|17.244895|0.260597|36.858105| |2.287133|2.522093|2.899340|2.961882|2.585219|2.306385|3.382224|2.374792|3.930036|2.387820|2.867576|0.083457|4.553628|4.293852|8.231800|4.991018|10.467206|0.199154|12.537399|36.858105| |2.208133|2.382976|2.652057|2.707939|2.444090|2.227905|3.213026|2.217049|3.707120|2.172445|2.519161|0.072575|4.001649|3.654909|6.723578|4.475481|9.062040|0.165497|7.841611|13.166885|53.358707| |2.324272|2.449199|2.719649|2.871416|2.656709|2.401717|3.566391|2.431576|4.098750|2.312562|2.646136|0.076792|4.241274|3.934642|7.193367|4.983143|10.479723|0.197098|6.660903|8.004588|17.920468|36.858105| |2.846122|3.004075|3.386137|3.636554|3.334642|2.966409|4.393550|2.889114|4.754155|2.706416|3.121842|0.088862|5.301608|5.103485|8.641731|7.632381|17.291066|0.256083|7.710343|6.653565|10.658949|12.538797|36.858105| |1.890449|2.019612|2.209048|2.245864|2.061561|1.904404|2.739847|1.917057|3.252353|1.883477|2.145717|0.062082|3.295160|2.897045|5.406315|3.341548|6.070060|0.118814|5.085103|7.880875|17.737553|7.839001|5.070277|36.858105| |1.796045|1.892214|2.022505|2.045216|1.915468|1.803094|2.545462|1.764201|3.009273|1.713478|1.909627|0.054681|2.925036|2.505276|4.560232|2.916584|4.996182|0.096377|3.913558|5.077672|10.511669|6.365975|4.440409|12.642493|36.858105| |1.823725|1.921447|2.020314|2.009901|1.888958|1.806946|2.477173|1.698456|2.880917|1.649681|1.823821|0.051500|2.812482|2.367752|4.205011|2.796922|4.601828|0.086224|3.606040|4.305369|8.315102|5.210609|4.108477|7.428546|14.145287|36.858105| |1.674187|1.738558|1.802231|1.798260|1.718868|1.662931|2.270108|1.557505|2.663688|1.502526|1.634719|0.046091|2.491823|2.060179|3.648933|2.393874|3.796945|0.072383|2.871750|3.286005|5.849878|4.052288|3.362204|5.026561|8.188277|13.275953|36.858105| |1.568157|1.616661|1.683815|1.702043|1.638095|1.575554|2.193930|1.518000|2.621194|1.458081|1.579806|0.044929|2.380904|1.970065|3.536934|2.248828|3.579080|0.069958|2.658751|3.084531|5.397050|3.897184|3.149622|4.826816|7.710657|8.279303|14.187562|36.858105| |1.602582|1.660866|1.761180|1.802752|1.720899|1.626320|2.327090|1.626392|2.817072|1.565425|1.715609|0.049443|2.576416|2.171778|3.987651|2.455081|4.055227|0.081145|3.022627|3.715766|6.677153|4.803420|3.550744|6.745205|10.971358|7.462311|7.431938|11.022910|388.023441| |1.410916|1.438989|1.484962|1.504830|1.466632|1.421825|1.978350|1.374464|2.393132|1.315379|1.405943|0.039949|2.092676|1.703915|3.056046|1.910215|2.952374|0.058423|2.160513|2.430981|4.014104|2.984573|2.538200|3.409849|4.587922|4.798931|6.949835|11.104516|45.305366|448.794386| |3.369776|3.822597|5.066383|5.814335|4.525241|3.574771|5.838384|4.910602|7.140795|7.538836|12.524401|0.252281|10.601132|5.739682|9.593200|4.072839|4.615724|0.097267|3.273674|2.702908|3.184364|2.372835|2.716306|2.023757|1.796164|1.723813|1.543671|1.485953|11.429744|10.629836|36.858105| |2.828116|3.090755|3.802332|4.277087|3.667956|3.017872|4.996173|4.404878|6.832483|6.612660|8.176462|0.208059|7.208574|4.331320|7.750449|3.257597|3.875216|0.082992|2.763380|2.379400|2.831694|2.110478|2.353321|1.838502|1.640443|1.568607|1.417301|1.375243|10.591637|9.927502|14.476868|97.533100| |3.064765|3.575870|4.751717|5.066522|3.861373|3.147584|4.911347|3.911487|5.921635|5.165923|8.137377|0.205738|9.373002|6.007458|10.652515|4.292261|5.063224|0.106642|3.797100|3.095238|3.519818|2.555638|2.887959|2.224955|1.938425|1.849951|1.636329|1.569669|12.169390|11.121048|14.429457|20.052593|97.533100| |3.822614|4.485829|5.903133|6.092166|4.704964|3.891162|5.637266|4.469486|6.427665|6.564337|8.075522|0.163400|8.996718|4.782645|7.538387|3.739829|4.172569|0.084967|2.994275|2.470106|2.963357|2.194274|2.524056|1.890767|1.701535|1.656571|1.490749|1.424769|10.806690|10.228477|14.408827|20.077995|20.131061|97.533100| |17.733026|8.912225|5.657612|4.966727|5.649045|8.953595|5.688567|3.360504|5.089921|3.248073|3.096238|0.074726|4.919538|3.141733|4.667447|3.338790|3.656171|0.068878|2.461818|2.073908|2.760673|2.126464|2.554140|1.760132|1.693220|1.734127|1.608674|1.504691|10.815807|10.954641|2.860077|5.558541|5.925676|7.260362|0.500000| |8.894973|17.741869|8.926549|5.646872|4.933681|5.636609|4.926594|3.101901|4.639986|3.265763|3.423674|0.081295|5.653868|3.610084|5.276423|3.835465|4.154217|0.076481|2.962985|2.409370|3.108271|2.302410|2.762989|1.955740|1.842583|1.890018|1.712989|1.582294|11.461779|11.318342|3.387289|6.303587|7.347809|8.997806|0.214431|0.500000| |5.647486|8.897941|17.719642|8.946386|5.637542|4.952844|5.710060|3.772121|5.451798|4.299569|5.249561|0.118802|9.729707|5.825143|7.947918|5.581230|5.621263|0.103685|4.096724|3.096539|3.752316|2.744701|3.349056|2.293874|2.072114|2.065689|1.824372|1.698383|12.692894|11.950520|5.390704|8.907226|12.356515|14.254528|0.124081|0.214248|0.500000| |8.909183|5.634250|4.952844|5.650158|8.927245|17.723473|9.748121|4.987642|7.406123|4.212213|3.659427|0.088640|5.680304|3.540728|5.254640|3.603365|3.880575|0.075535|2.472855|2.098895|2.796305|2.232551|2.709946|1.779322|1.702581|1.707412|1.589724|1.515121|11.067712|11.087312|3.093348|6.092501|6.145704|7.440142|0.215608|0.123975|0.107545|0.500000| |4.728967|4.002285|4.278679|5.838318|9.190649|7.129918|25.968338|9.519661|14.099389|5.709535|4.692809|0.119280|7.032816|4.481157|6.769954|4.234718|4.560458|0.093423|2.742295|2.340076|3.089647|2.553929|3.123376|1.952273|1.837812|1.793415|1.659840|1.610589|12.079173|11.744004|3.509977|6.992139|6.855954|7.671534|0.111615|0.090900|0.098580|0.209523|0.500000| |4.394062|4.384460|5.240689|6.872821|7.002115|5.275394|9.585318|8.897831|10.930760|17.581215|8.793033|0.173923|9.086963|4.606585|7.114609|3.670516|3.997450|0.082713|2.652436|2.232437|2.783280|2.153624|2.518985|1.779735|1.632094|1.587547|1.450552|1.399756|10.577346|10.164011|7.045575|13.724459|10.874693|16.804692|0.101373|0.101231|0.127785|0.128541|0.148217|0.500000| |3.213277|3.217956|3.803100|4.840060|4.859604|3.785597|7.781973|9.053942|13.646068|17.647423|8.885883|0.220562|7.647721|4.368075|7.429369|3.355864|3.856097|0.083085|2.550924|2.206012|2.732569|2.127073|2.427563|1.766984|1.608672|1.542061|1.411596|1.378585|10.554931|10.045170|6.733948|16.067140|10.651824|12.765419|0.077256|0.077480|0.098614|0.097634|0.129787|0.301817|0.500000| |4.275750|4.449155|5.373394|6.643034|5.993435|4.780002|7.513055|4.440291|6.766145|3.980841|4.621435|0.123821|9.231992|8.875617|11.360690|17.615095|12.319497|0.209884|5.637827|4.176729|5.481316|4.761484|7.506076|3.096159|2.800299|2.709017|2.368447|2.237903|17.163326|15.433468|3.651575|6.754016|8.231794|7.679668|0.099189|0.104195|0.134167|0.114174|0.140634|0.101987|0.092676|0.500000| |4.428726|5.282050|6.913973|6.928548|5.203922|4.392633|5.873335|3.689520|5.558328|3.679649|4.532082|0.116689|9.350569|8.671243|10.827251|17.681724|12.323823|0.184817|7.417010|4.728846|5.811326|4.454983|6.441987|3.219904|2.848792|2.808256|2.395167|2.209112|16.797873|15.044691|3.948778|7.039081|9.484943|8.588746|0.102082|0.127850|0.192900|0.101004|0.106502|0.098322|0.086202|0.302342|0.500000| |2.926870|3.381168|3.961275|3.816471|3.172857|2.850306|3.904798|2.636770|4.208628|2.677118|3.250056|0.089453|5.582291|5.202357|8.604145|7.043388|12.402007|0.182372|17.628742|8.854475|9.647698|5.859685|7.024156|4.765660|3.881141|3.776507|2.982933|2.681880|20.899890|17.436727|3.074903|5.820774|7.909718|6.565138|0.072505|0.090172|0.120897|0.069842|0.073794|0.071193|0.066566|0.149743|0.223971|0.500000| |2.789088|3.219505|3.992447|4.058473|3.264260|2.799163|4.133605|2.919996|4.649313|3.071248|3.983873|0.113902|6.677789|6.754218|12.669955|7.150586|12.372009|0.228491|17.650300|8.805812|7.682754|4.986844|5.627331|4.173623|3.280914|3.035666|2.489631|2.333557|18.770808|15.568931|3.817687|7.127723|10.538546|7.673995|0.068116|0.084010|0.125122|0.068456|0.076244|0.079487|0.076935|0.142952|0.193159|0.298513|0.500000| |2.147591|2.390710|2.721833|2.710420|2.359030|2.133139|3.057985|2.161675|3.577174|2.207956|2.637780|0.076003|4.108258|3.707142|7.019084|4.150439|7.632770|0.145645|9.015311|17.600338|12.477376|5.738387|4.967919|7.309313|4.816929|4.204580|3.201884|2.969287|24.947204|18.864346|2.566267|5.124126|6.698628|5.340738|0.054524|0.064532|0.082182|0.053972|0.058700|0.057999|0.057063|0.097543|0.114639|0.216749|0.212798|0.500000| |2.160168|2.354984|2.721963|2.851095|2.511035|2.213496|3.364059|2.412553|4.042259|2.427729|2.928470|0.087688|4.510575|4.282500|8.809077|4.610265|9.348596|0.209147|8.853470|17.414948|12.208099|7.107388|5.785071|6.882137|4.533827|3.729862|2.972056|2.892858|25.527248|18.708548|2.744555|5.519976|7.081415|5.518690|0.054361|0.061993|0.080152|0.056339|0.064641|0.062161|0.063059|0.109078|0.115926|0.173455|0.215494|0.302135|0.500000| |2.201018|2.284537|2.474552|2.591758|2.454722|2.267773|3.302801|2.237229|3.804950|2.106722|2.353135|0.067682|3.725004|3.319047|5.951543|4.141538|7.640804|0.144288|4.973260|5.741343|12.485093|17.631714|9.011317|7.258669|7.343414|6.106392|4.855272|4.706531|40.630753|28.024155|2.119210|4.282483|5.062348|4.467330|0.056703|0.060060|0.068635|0.059335|0.066776|0.054963|0.054065|0.115184|0.106042|0.131072|0.109354|0.127910|0.144246|0.500000| |2.193022|2.292238|2.564403|2.766175|2.580088|2.302062|3.555768|2.475622|4.237383|2.344920|2.683102|0.079710|4.192468|3.910450|7.520138|4.605358|9.367997|0.206943|5.798045|7.129505|12.237244|17.403735|8.858297|6.864121|5.445747|4.311504|3.541070|3.578912|32.840014|22.791003|2.386218|4.835195|5.766593|4.882896|0.055648|0.059489|0.071708|0.059860|0.070833|0.059848|0.060561|0.123117|0.110356|0.134198|0.130462|0.144462|0.211144|0.301922|0.500000| |2.906887|2.967922|3.305727|3.682852|3.531904|3.126184|4.811599|3.115569|5.190489|2.812256|3.158366|0.090293|5.314624|4.990475|8.381221|7.085733|12.370592|0.223130|5.620927|4.983301|7.678276|8.813875|17.621554|4.163296|3.829617|3.566338|3.073422|2.950793|23.384724|19.700189|2.671698|5.250938|6.214758|5.574460|0.072476|0.074641|0.088082|0.080597|0.097282|0.072083|0.069965|0.228766|0.158223|0.143420|0.126856|0.109255|0.130260|0.212922|0.215736|0.500000| |3.013295|3.204580|3.518693|3.622845|3.320524|3.051707|4.220949|2.723370|4.436241|2.569608|2.925508|0.081070|5.013461|4.573876|7.390263|7.023529|12.394553|0.180607|6.993077|5.826387|9.587514|8.836627|17.628587|4.738002|4.391091|4.366292|3.550085|3.194204|24.328365|20.570791|2.594271|5.034533|6.186384|5.564367|0.075720|0.082959|0.096543|0.077037|0.083599|0.067834|0.063699|0.194534|0.189961|0.210183|0.143203|0.130409|0.133554|0.216514|0.173324|0.299499|0.500000| |1.824379|1.969182|2.153022|2.156468|1.961242|1.818776|2.584396|1.818828|3.073865|1.812710|2.073173|0.059697|3.159740|2.740562|5.109528|3.098272|5.433441|0.105894|4.863290|7.482433|12.574822|5.710905|4.239869|17.587063|8.969551|6.575610|4.559416|4.257183|38.778551|24.990333|1.993110|4.083304|4.986089|4.209961|0.047295|0.053504|0.062946|0.047053|0.050844|0.047865|0.047380|0.078560|0.084832|0.129964|0.115016|0.234020|0.177702|0.145783|0.142792|0.097746|0.113791|0.500000| |1.793200|1.901861|2.089479|2.155999|1.991964|1.826705|2.689491|1.906113|3.267315|1.869245|2.125620|0.062377|3.208204|2.822701|5.408719|3.147930|5.675870|0.117412|4.558119|6.912561|12.250662|7.055015|4.598861|17.463948|8.900290|5.573633|4.284420|4.443304|48.205881|26.464098|1.997791|4.127806|4.930033|4.153886|0.046328|0.050854|0.060029|0.047656|0.053327|0.048679|0.049126|0.081601|0.082311|0.113517|0.108532|0.173702|0.198760|0.179110|0.203834|0.109850|0.114063|0.303297|0.500000| |1.937138|2.064302|2.165051|2.120073|1.972394|1.894985|2.548880|1.737429|2.919658|1.699114|1.888095|0.052839|2.941258|2.469283|4.324203|2.958089|4.814268|0.087851|3.897213|4.502641|8.415667|4.999392|4.214660|6.621917|8.924968|17.739445|8.606273|5.753748|37.710248|31.102303|1.796082|3.648823|4.358233|3.912591|0.051156|0.056860|0.061936|0.049367|0.050960|0.045686|0.043878|0.078631|0.084602|0.118726|0.090316|0.125350|0.104020|0.153039|0.112057|0.099181|0.130486|0.177324|0.135687|0.500000| |1.644513|1.702415|1.743643|1.725685|1.657541|1.621666|2.177147|1.488170|2.541688|1.436141|1.551488|0.043442|2.362713|1.928155|3.381153|2.236399|3.455370|0.065537|2.606373|2.884615|4.928452|3.448488|3.016509|4.013792|5.707507|8.560606|17.766228|8.931623|37.639532|50.870894|1.470506|3.039920|3.490244|3.221653|0.044246|0.046906|0.048905|0.043198|0.044329|0.038756|0.037460|0.061818|0.062890|0.076349|0.063482|0.078813|0.072458|0.111992|0.084173|0.077521|0.090246|0.104782|0.096646|0.201176|0.500000| 2328.927462 -12692.975794 4665.047360 -243.269590 -5942.270562 3610.993758 -2331.276804 2.001009 40B547FFFFFFFFF2 44FEF525ABFE7E74 447F531F0919CBD8 424AE64FBA5E0001 C028000000000000 440D3DFA5AEE2155